CID 3008112

1-[[1-(2-fluorophenyl)-2-methyl-5-phenyl-pyrrol-3-yl]methyl]-4-methyl-piperazine

Structural Information

Molecular Formula
C23H26FN3
SMILES
CC1=C(C=C(N1C2=CC=CC=C2F)C3=CC=CC=C3)CN4CCN(CC4)C
InChI
InChI=1S/C23H26FN3/c1-18-20(17-26-14-12-25(2)13-15-26)16-23(19-8-4-3-5-9-19)27(18)22-11-7-6-10-21(22)24/h3-11,16H,12-15,17H2,1-2H3
InChIKey
LTJWVAFBHGULGO-UHFFFAOYSA-N
Compound name
1-[[1-(2-fluorophenyl)-2-methyl-5-phenylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

363.2111 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.21838 191.4
[M+Na]+ 386.20032 198.1
[M-H]- 362.20382 198.3
[M+NH4]+ 381.24492 201.1
[M+K]+ 402.17426 190.2
[M+H-H2O]+ 346.20836 178.1
[M+HCOO]- 408.20930 206.5
[M+CH3COO]- 422.22495 199.8
[M+Na-2H]- 384.18577 188.7
[M]+ 363.21055 187.1
[M]- 363.21165 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.